[Pw_forum] Relax calculation not converging

Paolo Giannozzi giannozz at democritos.it
Fri Oct 9 13:54:32 CEST 2009


On Oct 9, 2009, at 11:56 , Dimpy Sharma wrote:

> ' convergence NOT achieved after 100 iterations: stopping'
>
please see here:
http://www.quantum-espresso.org/user_guide/ 
node76.html#SECTION00096020000000000000

P.
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222





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